{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.368442 0.184221 0.500025 ] [ 0.815779 0.184221 0.500025 ] [ 0.666667 0.333333 0.983365 ] [ 0.815779 0.631558 0.500025 ] [ 0.184221 0.368442 0.000025 ] [ 0.184221 0.815779 0.000025 ] [ 0.333333 0.666667 0.483365 ] [ 0.631558 0.815779 0.000025 ] [ 0.666667 0.333333 0.629346 ] [ 0.333333 0.666667 0.129346 ] [ 0.259706 0.129853 0.893315 ] [ 0.541469 0.082939 0.226963 ] [ 0.870147 0.129853 0.893315 ] [ 0.541469 0.458531 0.226963 ] [ 0.917061 0.458531 0.226963 ] [ 0.129853 0.259706 0.393315 ] [ 0.870147 0.740294 0.893315 ] [ 0.082939 0.541469 0.726963 ] [ 0.458531 0.541469 0.726963 ] [ 0.129853 0.870147 0.393315 ] [ 0.458531 0.917061 0.726963 ] [ 0.740294 0.870147 0.393315 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 7.46030194 "source-unit" "angstrom" } "c" { "source-value" 5.61379389 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.6026652850000005 "source-unit" "eV" } }